Methyl 3-({[1-butyl-2,4,6-trioxo-3-(2-phenylethyl)tetrahydropyrimidin-5(2H)-ylidene]methyl}amino)thiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 3-({[1-butyl-2,4,6-trioxo-3-(2-phenylethyl)tetrahydropyrimidin-5(2H)-ylidene]methyl}amino)thiophene-2-carboxylate
• CAS No.: 6449-02-1
• Molecular Formula: C23H25N3O5S
• Molecular Weight: 455.5267
• DSSTox Substance ID: DTXSID10425801

Synonyms:6449-02-1;Methyl 3-({[1-butyl-2,4,6-trioxo-3-(2-phenylethyl)tetrahydropyrimidin-5(2H)-ylidene]methyl}amino)thiophene-2-carboxylate;DTXSID10425801;AJ-030/12105397;methyl 3-[[1-butyl-6-hydroxy-2,4-dioxo-3-(2-phenylethyl)pyrimidin-5-yl]methylideneamino]thiophene-2-carboxylate;methyl 3-{[(1-butyl-2,4,6-trioxo-3-(2-phenylethyl)tetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-2-thiophenecarboxylate

Chemical Property of Methyl 3-({[1-butyl-2,4,6-trioxo-3-(2-phenylethyl)tetrahydropyrimidin-5(2H)-ylidene]methyl}amino)thiophene-2-carboxylate

Chemical Property:

• Vapor Pressure: 1.47E-13mmHg at 25°C
• Boiling Point: 582.5°C at 760 mmHg
• Flash Point: 306.1°C
• Density: 1.344g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 455.15149208
• Heavy Atom Count: 32
• Complexity: 763

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1C(=C(C(=O)N(C1=O)CCC2=CC=CC=C2)C=NC3=C(SC=C3)C(=O)OC)O

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